1,3-Benzodioxole, 6-butoxy-4,5-dimethoxy-
TL;DR: 1,3-Benzodioxole, 6-butoxy-4,5-dimethoxy- (CAS 96573-16-9) is a chemical compound with molecular formula C13H18O5 and molecular weight 254.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-butoxy-4,5-dimethoxy-1,3-benzodioxole
Also Known As: 6-butoxy-4,5-dimethoxy-1,3-benzodioxole, 1,3-Benzodioxole, 6-butoxy-4,5-dimethoxy-, 6-butoxy-4,5-dimethoxy-benzo[1,3]dioxole, 6-Butoxy-4,5-dimethoxy-2H-1,3-benzodioxole, 2-Cyclohexen-1-one,6-benzoyl-3-methoxy-5-phenyl
| Molecular Formula | C13H18O5 |
|---|---|
| Molecular Weight | 254.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.11542 |
| Heavy Atoms | 18 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 96573-16-9 |
|---|---|
| SMILES | CCCCOC1=C(C(=C2C(=C1)OCO2)OC)OC |
| InChIKey | GXZHSJBIQUVSLP-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxole, 6-butoxy-4,5-dimethoxy- (CAS 96573-16-9), with molecular formula C13H18O5 and molecular weight 254.12 g/mol. IUPAC: 6-butoxy-4,5-dimethoxy-1,3-benzodioxole.
Chemical Property Profile of 1,3-Benzodioxole, 6-butoxy-4,5-dimethoxy-
Property Insights of 1,3-Benzodioxole, 6-butoxy-4,5-dimethoxy-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole, 6-butoxy-4,5-dimethoxy-. With a topological polar surface area (TPSA) of 46.2 Ų, 1,3-Benzodioxole, 6-butoxy-4,5-dimethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 6-butoxy-4,5-dimethoxy- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Benzodioxole, 6-butoxy-4,5-dimethoxy-?
The CAS number of 1,3-Benzodioxole, 6-butoxy-4,5-dimethoxy- is 96573-16-9.
What is the molecular formula of 1,3-Benzodioxole, 6-butoxy-4,5-dimethoxy-?
The molecular formula of 1,3-Benzodioxole, 6-butoxy-4,5-dimethoxy- is C13H18O5.
What is the molecular weight of 1,3-Benzodioxole, 6-butoxy-4,5-dimethoxy-?
The molecular weight of 1,3-Benzodioxole, 6-butoxy-4,5-dimethoxy- is 254.12 g/mol.
Where can I buy 1,3-Benzodioxole, 6-butoxy-4,5-dimethoxy-?
You can request a quote for 1,3-Benzodioxole, 6-butoxy-4,5-dimethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole, 6-butoxy-4,5-dimethoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 6-butoxy-4,5-dimethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.